==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, TRANSFERASE/RNA 16-MAR-12 4E78 . COMPND 2 MOLECULE: 5'-R(*U*AP*CP*CP*GP*(GDO))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.E.EDWARDS,R.T.MOSLEY . 538 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 1 1 1 1 2 1 1 2 2 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A S 0 0 121 0, 0.0 57,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-104.9 28.3 -40.7 -11.7 2 1 A S - 0 0 18 55,-0.3 55,-3.0 54,-0.1 2,-0.5 -0.468 360.0-134.7 -91.3 146.9 28.2 -40.3 -7.8 3 2 A M B -A 56 0A 82 53,-0.2 53,-0.2 -2,-0.2 51,-0.1 -0.863 16.0-137.7 -93.6 129.5 29.9 -37.8 -5.5 4 3 A S S S+ 0 0 0 51,-1.9 275,-3.0 -2,-0.5 2,-0.3 0.827 79.6 6.1 -53.1 -41.8 31.5 -39.4 -2.4 5 4 A Y E -B 278 0B 19 273,-0.2 2,-0.3 274,-0.1 273,-0.2 -0.944 55.6-153.4-141.7 163.1 30.2 -36.7 0.0 6 5 A S E -B 277 0B 45 271,-2.3 271,-1.2 -2,-0.3 2,-0.4 -0.948 20.2-148.7-130.0 154.1 27.9 -33.7 0.4 7 6 A W E -B 276 0B 79 -2,-0.3 269,-0.3 269,-0.2 268,-0.1 -0.965 26.4-169.8-139.1 126.3 28.4 -30.9 2.9 8 7 A T - 0 0 82 267,-1.4 268,-0.2 -2,-0.4 -1,-0.1 0.626 55.0-116.2 -75.5 -15.5 26.1 -28.6 4.8 9 8 A G + 0 0 72 266,-0.7 2,-0.1 1,-0.3 266,-0.1 0.619 64.5 149.1 83.8 12.9 29.2 -26.6 5.9 10 9 A A - 0 0 27 265,-0.4 -1,-0.3 264,-0.2 -2,-0.1 -0.487 54.1 -97.0 -71.4 149.5 28.6 -27.5 9.5 11 10 A L - 0 0 64 -2,-0.1 2,-0.9 1,-0.1 260,-0.1 -0.329 22.3-132.3 -65.0 145.8 31.8 -27.8 11.7 12 11 A I - 0 0 17 31,-0.3 34,-0.2 257,-0.1 35,-0.1 -0.853 34.8-156.5 -98.5 94.0 33.2 -31.2 12.4 13 12 A T - 0 0 33 -2,-0.9 128,-0.5 126,-0.1 257,-0.2 -0.213 9.9-114.2 -68.7 157.0 33.6 -30.8 16.2 14 13 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 -0.549 9.4-150.0 -89.9 159.3 36.1 -32.9 18.2 15 14 A C S S+ 0 0 73 126,-0.3 127,-0.1 1,-0.3 3,-0.0 0.878 87.1 36.6 -81.4 -84.0 35.4 -35.5 21.0 16 15 A S S S- 0 0 72 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.626 104.4-104.9 -76.3 108.6 38.4 -35.3 23.4 17 16 A P - 0 0 110 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.008 38.3-112.1 -38.5 125.9 39.4 -31.6 23.7 18 17 A E - 0 0 83 1,-0.1 2,-0.4 -3,-0.0 24,-0.0 -0.427 38.2-138.2 -63.0 135.0 42.6 -31.2 21.7 19 18 A E - 0 0 69 -3,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.835 4.1-122.2-112.4 137.3 45.4 -30.4 24.1 20 19 A E - 0 0 84 -2,-0.4 381,-0.3 1,-0.1 2,-0.0 -0.401 32.3-113.9 -69.1 140.1 48.3 -27.9 23.9 21 20 A K - 0 0 67 379,-0.1 379,-0.1 -2,-0.1 -1,-0.1 -0.327 34.6-123.3 -63.2 163.2 51.8 -29.3 24.2 22 21 A L - 0 0 75 377,-0.5 377,-0.1 2,-0.1 -1,-0.1 -0.702 17.2-109.0-112.6 163.2 53.7 -28.2 27.3 23 22 A P S S+ 0 0 134 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.598 103.7 43.0 -70.5 -13.4 57.1 -26.4 27.7 24 23 A I - 0 0 113 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.988 58.3-167.8-135.6 126.2 58.9 -29.5 29.0 25 24 A N >> + 0 0 12 -2,-0.4 4,-2.1 1,-0.2 3,-0.7 -0.810 16.0 179.0-107.8 87.0 58.6 -33.0 27.7 26 25 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.771 72.7 49.7 -70.6 -29.5 60.3 -34.9 30.5 27 26 A L T 34 S+ 0 0 28 1,-0.1 3,-0.1 2,-0.1 406,-0.1 0.762 125.4 24.3 -76.3 -25.3 60.0 -38.4 29.2 28 27 A S T X> S+ 0 0 0 -3,-0.7 4,-2.0 369,-0.1 3,-1.3 0.491 87.9 95.5-124.5 -6.0 61.3 -37.7 25.7 29 28 A N T 3< S+ 0 0 83 -4,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.515 93.2 49.0 -70.6 -2.1 63.5 -34.6 25.8 30 29 A S T 34 S+ 0 0 49 -4,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.521 106.9 57.0-102.8 -14.7 66.5 -37.0 26.1 31 30 A L T <4 S- 0 0 1 -3,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.870 125.7 -10.4 -77.9 -45.3 65.2 -39.1 23.2 32 31 A L < - 0 0 1 -4,-2.0 -1,-0.3 455,-0.2 455,-0.3 -0.989 49.9-147.4-158.6 154.8 65.1 -36.2 20.7 33 32 A R S S+ 0 0 166 453,-0.9 2,-1.6 -2,-0.3 3,-0.3 0.755 77.0 80.1 -97.9 -29.7 65.4 -32.4 20.6 34 33 A Y > + 0 0 80 451,-2.4 3,-1.9 1,-0.2 4,-0.3 -0.321 40.7 147.9 -88.2 60.5 63.2 -31.2 17.8 35 34 A H G > + 0 0 31 -2,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.756 64.2 75.3 -62.8 -23.3 59.8 -31.3 19.5 36 35 A N G 3 S+ 0 0 134 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.832 94.6 51.9 -55.6 -32.5 58.8 -28.3 17.3 37 36 A K G < S+ 0 0 57 -3,-1.9 111,-2.5 448,-0.1 2,-0.6 0.584 90.7 87.6 -79.8 -14.0 58.5 -30.8 14.5 38 37 A V E < +F 147 0C 3 -3,-1.5 2,-0.3 -4,-0.3 109,-0.2 -0.816 57.8 161.4 -97.2 122.7 56.2 -33.2 16.3 39 38 A Y E -F 146 0C 17 107,-2.3 107,-2.7 -2,-0.6 2,-0.4 -0.894 31.9-134.9-138.3 164.1 52.5 -32.3 15.9 40 39 A C E -F 145 0C 35 -2,-0.3 2,-0.4 105,-0.3 105,-0.3 -0.969 33.8-104.4-125.1 138.9 49.0 -33.8 16.3 41 40 A T - 0 0 5 103,-3.2 2,-0.1 -2,-0.4 118,-0.1 -0.449 36.6-154.8 -69.5 116.2 46.2 -33.4 13.8 42 41 A T > - 0 0 64 -2,-0.4 3,-0.9 101,-0.1 116,-0.7 -0.467 22.5-121.6 -85.4 160.2 43.5 -30.9 15.0 43 42 A S G > S+ 0 0 16 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.685 108.6 72.7 -78.8 -20.3 39.8 -30.9 14.0 44 43 A K G > S+ 0 0 84 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.790 94.8 58.3 -60.2 -23.1 40.1 -27.3 12.6 45 44 A S G <> S+ 0 0 18 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.393 80.4 90.7 -80.9 1.7 42.0 -29.3 9.9 46 45 A A H <> S+ 0 0 1 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.875 80.0 57.1 -67.0 -38.7 38.9 -31.4 9.3 47 46 A S H <> S+ 0 0 95 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.2 0.948 104.3 52.3 -50.4 -55.4 37.7 -29.0 6.6 48 47 A Q H > S+ 0 0 118 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.861 107.8 52.2 -51.0 -42.2 40.9 -29.4 4.7 49 48 A R H X S+ 0 0 45 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.925 102.7 57.7 -63.1 -47.8 40.5 -33.2 4.7 50 49 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.874 102.7 53.9 -51.9 -44.6 37.0 -33.1 3.3 51 50 A K H >< S+ 0 0 76 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.974 106.9 51.8 -55.2 -51.9 38.1 -31.3 0.2 52 51 A K H 3< S+ 0 0 61 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 119.3 36.7 -54.8 -30.3 40.8 -34.0 -0.5 53 52 A V H 3< S+ 0 0 8 -4,-1.4 2,-0.6 -3,-0.3 -1,-0.2 0.550 95.0 89.3-104.4 -11.2 38.0 -36.7 -0.2 54 53 A T << + 0 0 32 -4,-1.9 2,-0.3 -3,-0.7 -51,-0.0 -0.817 59.8 111.3 -93.4 119.1 35.0 -35.1 -1.8 55 54 A F - 0 0 63 -2,-0.6 -51,-1.9 172,-0.1 2,-0.4 -0.956 65.8 -77.6 179.7 159.8 34.9 -35.8 -5.5 56 55 A D B -A 3 0A 74 -2,-0.3 2,-0.4 -53,-0.2 -53,-0.2 -0.536 34.0-162.2 -81.5 126.8 33.1 -37.6 -8.4 57 56 A R - 0 0 5 -55,-3.0 -55,-0.3 -2,-0.4 2,-0.3 -0.823 7.6-177.5 -97.1 145.2 33.6 -41.3 -8.9 58 57 A T - 0 0 81 -2,-0.4 2,-0.4 -57,-0.2 290,-0.2 -0.973 10.8-158.2-143.3 134.5 32.7 -42.9 -12.2 59 58 A Q - 0 0 42 -2,-0.3 2,-0.4 288,-0.1 288,-0.2 -0.923 17.2-179.9-125.8 132.9 33.0 -46.6 -12.8 60 59 A V - 0 0 89 286,-2.5 288,-0.1 -2,-0.4 286,-0.0 -0.876 13.8-174.4-133.6 104.0 33.3 -48.8 -15.9 61 60 A L - 0 0 23 -2,-0.4 2,-0.3 286,-0.1 3,-0.0 -0.149 8.8-173.5 -87.0-177.3 33.6 -52.6 -15.2 62 61 A D > - 0 0 39 1,-0.1 4,-2.5 285,-0.0 3,-0.3 -0.995 42.8 -66.4-169.1 171.6 34.3 -55.2 -17.9 63 62 A A H > S+ 0 0 78 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.792 126.3 51.4 -34.3 -47.8 34.6 -58.9 -19.0 64 63 A H H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.960 110.9 44.9 -59.4 -58.8 37.7 -59.2 -16.8 65 64 A Y H > S+ 0 0 6 -3,-0.3 4,-2.7 1,-0.2 3,-0.4 0.908 110.9 55.4 -48.9 -49.0 36.1 -57.9 -13.6 66 65 A D H X S+ 0 0 80 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.879 105.0 52.6 -59.1 -38.3 33.0 -60.0 -14.2 67 66 A S H X S+ 0 0 49 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.856 111.3 45.8 -66.2 -35.7 35.1 -63.2 -14.5 68 67 A V H X S+ 0 0 7 -4,-1.5 4,-1.7 -3,-0.4 -2,-0.2 0.958 112.3 51.1 -71.1 -49.7 36.8 -62.5 -11.1 69 68 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 3,-0.4 0.903 109.5 50.2 -55.4 -47.9 33.5 -61.6 -9.4 70 69 A K H X S+ 0 0 60 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.955 111.6 48.9 -53.3 -50.8 31.9 -64.8 -10.7 71 70 A D H X S+ 0 0 99 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.787 110.7 51.4 -60.0 -28.4 34.8 -66.9 -9.4 72 71 A I H >X S+ 0 0 7 -4,-1.7 4,-2.7 -3,-0.4 3,-0.5 0.928 106.1 50.9 -84.1 -46.2 34.7 -65.2 -6.0 73 72 A K H 3X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 105.6 58.9 -48.3 -44.7 31.0 -65.7 -5.4 74 73 A L H 3< S+ 0 0 111 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.856 108.5 45.0 -58.7 -34.2 31.6 -69.4 -6.2 75 74 A A H X< S+ 0 0 23 -4,-0.9 3,-1.3 -3,-0.5 4,-0.3 0.899 108.3 56.8 -73.0 -43.2 34.1 -69.4 -3.3 76 75 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 169,-0.3 0.871 98.0 63.8 -52.1 -38.6 31.6 -67.5 -1.1 77 76 A S T 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 168,-0.2 0.771 91.4 63.4 -59.7 -27.1 29.1 -70.4 -1.8 78 77 A K T < S+ 0 0 153 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.580 90.6 90.5 -76.4 -6.8 31.4 -72.9 0.1 79 78 A V < - 0 0 12 -3,-1.9 166,-2.9 -4,-0.3 2,-0.5 -0.697 56.4-164.7 -93.4 140.0 30.9 -70.9 3.3 80 79 A S B -g 245 0D 72 -2,-0.3 2,-0.3 164,-0.2 166,-0.2 -0.989 13.7-177.3-121.3 124.8 28.2 -71.4 5.9 81 80 A A - 0 0 12 164,-2.6 2,-0.3 -2,-0.5 98,-0.0 -0.895 10.6-151.7-120.6 151.8 27.6 -68.6 8.5 82 81 A R - 0 0 128 -2,-0.3 96,-0.4 164,-0.1 97,-0.2 -0.840 24.4-107.0-114.2 154.6 25.2 -68.4 11.5 83 82 A L - 0 0 36 -2,-0.3 2,-0.4 95,-0.1 92,-0.2 -0.418 33.8-124.7 -63.3 154.6 23.6 -65.4 13.1 84 83 A L - 0 0 9 90,-1.7 2,-0.1 89,-0.1 93,-0.1 -0.885 28.7-109.0 -99.7 139.2 25.0 -64.4 16.5 85 84 A T > - 0 0 65 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.399 32.2-109.6 -63.1 142.4 22.5 -64.3 19.4 86 85 A L H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.829 122.3 51.6 -39.3 -38.7 21.8 -60.7 20.4 87 86 A Q H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.970 103.8 54.0 -67.7 -54.2 23.7 -61.6 23.6 88 87 A Q H > S+ 0 0 68 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.854 107.5 53.3 -48.1 -41.1 26.7 -62.9 21.8 89 88 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 4,-0.5 0.953 106.1 52.4 -57.2 -51.0 26.9 -59.6 19.9 90 89 A C H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.882 103.8 56.6 -56.0 -40.8 26.9 -57.6 23.2 91 90 A Q H 3< S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.650 102.4 57.1 -68.0 -16.2 29.8 -59.7 24.6 92 91 A L T << S+ 0 0 64 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.500 80.8 110.1 -91.9 -5.6 31.9 -58.7 21.5 93 92 A T S < S- 0 0 3 -3,-1.6 -3,-0.0 -4,-0.5 77,-0.0 -0.475 78.3-110.7 -64.1 133.0 31.4 -55.0 22.2 94 93 A P > - 0 0 69 0, 0.0 3,-1.7 0, 0.0 16,-0.1 -0.388 30.2-105.4 -67.4 153.0 34.7 -53.4 23.3 95 94 A P T 3 S+ 0 0 65 0, 0.0 15,-0.1 0, 0.0 11,-0.1 0.726 113.2 25.8 -47.4 -43.3 35.0 -52.2 27.0 96 95 A H T 3 S+ 0 0 183 10,-0.1 3,-0.1 9,-0.1 -3,-0.0 -0.018 80.6 160.3-119.7 34.4 34.7 -48.5 26.5 97 96 A S < - 0 0 26 -3,-1.7 9,-0.6 1,-0.2 10,-0.1 -0.269 58.8 -84.2 -59.8 132.8 32.8 -48.3 23.2 98 97 A A - 0 0 54 7,-0.1 68,-0.3 1,-0.1 -1,-0.2 -0.109 55.6-107.8 -48.1 124.8 31.1 -44.9 22.9 99 98 A R - 0 0 150 -3,-0.1 6,-0.3 1,-0.1 67,-0.2 -0.017 34.3-101.1 -55.6 155.1 27.8 -44.9 24.7 100 99 A S B > -H 104 0E 4 4,-3.0 4,-0.8 65,-0.1 3,-0.4 -0.461 18.7-123.9 -77.3 153.6 24.5 -44.9 22.9 101 100 A K T 4 S+ 0 0 90 1,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.638 105.4 72.5 -66.3 -17.6 22.3 -41.8 22.4 102 101 A Y T 4 S- 0 0 155 2,-0.2 -1,-0.3 1,-0.0 17,-0.1 -0.303 122.7 -88.5 -98.6 48.6 19.5 -43.7 24.2 103 102 A G T 4 S+ 0 0 55 -2,-0.4 2,-0.3 -3,-0.4 -2,-0.1 0.853 92.8 91.5 48.3 54.3 21.0 -43.5 27.7 104 103 A F B < -H 100 0E 2 -4,-0.8 -4,-3.0 11,-0.1 -2,-0.2 -0.939 47.7-160.8-162.4 162.1 23.3 -46.6 28.0 105 104 A G > - 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0 0 54 -2,-0.3 3,-0.3 -5,-0.2 4,-0.3 -0.939 16.1-152.1-119.2 142.7 52.0 -40.7 27.9 405 404 A P S > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.554 71.5 99.2 -92.4 -2.6 54.1 -42.2 25.1 406 405 A I H > S+ 0 0 11 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.872 82.0 54.7 -55.6 -37.5 55.6 -45.1 27.1 407 406 A N H > S+ 0 0 83 -3,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.930 104.1 53.8 -60.7 -46.3 53.0 -47.5 25.6 408 407 A S H > S+ 0 0 35 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.831 107.8 52.0 -53.6 -36.6 54.0 -46.5 22.0 409 408 A W H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.986 111.9 44.5 -63.3 -55.2 57.6 -47.3 22.9 410 409 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.864 109.8 59.8 -57.7 -37.0 56.6 -50.8 24.1 411 410 A G H X S+ 0 0 36 -4,-3.0 4,-2.5 -5,-0.2 3,-0.4 0.987 112.2 34.8 -50.1 -64.6 54.4 -51.1 21.1 412 411 A N H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.763 110.0 64.4 -70.6 -24.9 57.1 -50.7 18.6 413 412 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.955 112.9 35.9 -61.8 -44.9 59.7 -52.6 20.7 414 413 A I H >< S+ 0 0 38 -4,-2.1 3,-1.4 -3,-0.4 -2,-0.2 0.989 121.7 43.2 -67.8 -61.3 57.5 -55.6 20.4 415 414 A Q H 3< S+ 0 0 86 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.874 130.4 25.4 -54.8 -43.5 56.3 -55.2 16.8 416 415 A Y T >< S+ 0 0 6 -4,-2.5 3,-2.1 -5,-0.2 6,-0.4 -0.079 78.9 140.7-118.6 32.8 59.7 -54.2 15.4 417 416 A A T < + 0 0 1 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.717 69.9 49.3 -50.2 -34.5 62.0 -55.8 17.9 418 417 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.550 85.7 105.0 -91.6 -3.1 64.6 -57.0 15.5 419 418 A T S <> S- 0 0 0 -3,-2.1 4,-2.2 -34,-0.1 3,-0.2 -0.422 76.9-124.3 -71.1 149.9 65.1 -53.6 13.7 420 419 A I H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.861 108.7 55.8 -61.7 -37.3 68.2 -51.6 14.5 421 420 A W H >>S+ 0 0 2 2,-0.2 5,-1.8 3,-0.2 4,-1.3 0.828 111.3 42.7 -69.9 -31.8 66.2 -48.5 15.5 422 421 A V H 4>S+ 0 0 0 -6,-0.4 5,-3.1 -3,-0.2 6,-0.4 0.948 118.1 45.5 -72.5 -49.2 64.2 -50.4 18.1 423 422 A R H <5S+ 0 0 10 -4,-2.2 5,-0.2 -7,-0.3 -2,-0.2 0.847 126.5 28.2 -64.2 -37.7 67.2 -52.3 19.4 424 423 A M H <5S+ 0 0 23 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.815 134.3 21.9 -94.3 -35.8 69.5 -49.3 19.6 425 424 A V T X5S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.4 -3,-0.2 0.909 124.9 35.5-103.2 -57.5 67.2 -46.4 20.1 426 425 A L H > S+ 0 0 1 -6,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.936 116.2 43.5 -57.1 -41.1 67.9 -48.1 25.2 429 428 A H H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.896 110.9 53.9 -70.9 -42.7 65.5 -45.3 26.0 430 429 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.950 115.2 37.2 -54.9 -57.7 62.7 -47.4 27.4 431 430 A F H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.933 112.5 58.5 -66.8 -44.5 64.7 -49.2 30.0 432 431 A S H X S+ 0 0 42 -4,-1.9 4,-1.3 -5,-0.4 -1,-0.2 0.896 112.4 42.4 -49.1 -40.9 66.8 -46.1 30.8 433 432 A I H X S+ 0 0 23 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.955 115.4 45.7 -74.1 -50.8 63.5 -44.4 31.7 434 433 A L H <>S+ 0 0 1 -4,-2.5 5,-2.5 2,-0.2 6,-0.3 0.818 109.1 56.3 -64.6 -35.4 61.8 -47.2 33.6 435 434 A M H ><5S+ 0 0 19 -4,-3.1 3,-2.2 3,-0.2 -1,-0.2 0.969 108.3 47.3 -59.6 -50.3 64.9 -47.9 35.7 436 435 A V H 3<5S+ 0 0 126 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.812 113.5 47.1 -67.4 -26.8 65.1 -44.4 36.8 437 436 A Q T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.414 104.5-136.7 -81.1 2.8 61.4 -44.4 37.7 438 437 A D T < 5S+ 0 0 120 -3,-2.2 -3,-0.2 -5,-0.2 3,-0.2 0.852 70.4 125.4 32.3 46.0 62.2 -47.8 39.4 439 438 A T < + 0 0 41 -5,-2.5 3,-0.4 1,-0.1 -4,-0.2 -0.191 18.5 134.8-119.4 41.3 58.9 -48.8 37.7 440 439 A L S S+ 0 0 12 -6,-0.3 10,-0.4 1,-0.2 -1,-0.1 0.490 71.8 37.6 -77.0 -9.9 60.4 -51.8 35.8 441 440 A D S S+ 0 0 105 -3,-0.2 -1,-0.2 8,-0.1 -2,-0.1 0.525 77.8 119.7-122.6 -10.7 57.7 -54.3 36.6 442 441 A Q S S- 0 0 52 -3,-0.4 2,-1.0 1,-0.1 5,-0.1 -0.309 74.8-109.9 -48.4 134.4 54.4 -52.3 36.4 443 442 A N > - 0 0 111 5,-0.1 3,-0.6 3,-0.1 2,-0.5 -0.644 31.8-159.7 -80.4 102.8 52.3 -53.8 33.6 444 443 A L B > S-O 447 0I 33 3,-1.3 3,-2.1 -2,-1.0 -1,-0.0 -0.716 76.5 -19.9 -82.4 123.9 52.2 -51.4 30.7 445 444 A G T 3 S- 0 0 74 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.788 129.0 -53.6 45.1 37.3 49.2 -52.2 28.4 446 445 A G T < S+ 0 0 67 -3,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.694 116.7 107.3 72.2 22.9 49.1 -55.7 30.0 447 454 A V B < -O 444 0I 35 -3,-2.1 -3,-1.3 -5,-0.1 -1,-0.2 -0.996 63.5-136.3-128.6 132.1 52.7 -56.6 29.3 448 455 A N > - 0 0 28 -2,-0.4 3,-3.0 -5,-0.2 4,-0.3 -0.768 12.3-144.0 -85.7 120.4 55.5 -56.9 31.9 449 456 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.799 99.8 61.9 -49.2 -37.4 58.7 -55.3 30.6 450 457 A L G 3 S+ 0 0 26 -10,-0.4 4,-0.2 1,-0.3 64,-0.2 0.589 97.7 60.3 -69.2 -8.3 60.8 -57.9 32.3 451 458 A D G <> S+ 0 0 55 -3,-3.0 4,-2.6 1,-0.1 -1,-0.3 0.477 75.7 101.6 -90.1 -4.3 59.1 -60.5 30.0 452 459 A L H <> S+ 0 0 0 -3,-1.8 4,-3.8 -4,-0.3 5,-0.3 0.884 77.2 49.9 -50.9 -52.7 60.3 -58.8 26.8 453 460 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.908 113.9 46.9 -55.2 -46.5 63.1 -61.2 26.0 454 461 A A H > S+ 0 0 15 -4,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.924 115.5 46.0 -56.7 -47.5 60.8 -64.1 26.4 455 462 A I H X S+ 0 0 42 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.923 112.6 49.2 -64.0 -46.1 58.1 -62.4 24.3 456 463 A I H X>S+ 0 0 2 -4,-3.8 4,-3.6 1,-0.2 5,-1.4 0.921 108.8 53.2 -63.8 -42.3 60.6 -61.4 21.6 457 464 A E H X5S+ 0 0 31 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.923 113.0 44.7 -57.2 -46.2 62.0 -64.9 21.4 458 465 A R H <5S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.947 123.4 34.0 -62.6 -47.9 58.4 -66.3 20.9 459 466 A L H <5S+ 0 0 60 -4,-2.9 -2,-0.2 -5,-0.1 -260,-0.2 0.886 138.7 12.8 -81.1 -37.2 57.4 -63.7 18.3 460 467 A H H <5S- 0 0 46 -4,-3.6 -3,-0.2 -5,-0.3 3,-0.2 0.686 99.9-120.5-117.0 -26.8 60.7 -63.0 16.5 461 468 A G ><< - 0 0 24 -5,-1.4 3,-2.5 -4,-0.6 4,-0.2 -0.008 37.5 -68.2 98.7 157.0 63.1 -65.8 17.4 462 469 A L G > S+ 0 0 41 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.717 123.3 69.2 -55.2 -27.1 66.6 -65.8 19.1 463 470 A D G >> S+ 0 0 75 1,-0.3 3,-1.4 -3,-0.2 4,-0.7 0.628 80.9 77.3 -71.1 -12.7 68.2 -64.1 16.1 464 471 A A G <4 S+ 0 0 2 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.600 96.4 47.6 -65.9 -14.4 66.3 -61.0 17.0 465 472 A F G <4 S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.325 118.3 40.7-103.0 4.7 68.9 -60.5 19.8 466 473 A S T <4 S+ 0 0 31 -3,-1.4 -2,-0.2 54,-0.1 -3,-0.1 0.342 70.3 127.5-141.4 7.9 71.9 -61.1 17.4 467 474 A M < + 0 0 17 -4,-0.7 -91,-0.2 1,-0.1 3,-0.1 -0.332 25.5 167.5 -72.5 155.7 71.5 -59.5 14.0 468 475 A H + 0 0 102 -93,-1.6 2,-0.8 1,-0.2 -1,-0.1 0.659 46.7 61.0-147.7 -27.9 74.5 -57.4 13.0 469 476 A T - 0 0 78 -94,-0.4 2,-0.2 -93,-0.1 -1,-0.2 -0.762 64.7-164.5-113.9 93.2 75.1 -56.1 9.5 470 477 A Y - 0 0 18 -2,-0.8 -96,-0.2 -96,-0.2 -51,-0.0 -0.480 25.3 -99.2 -80.3 143.0 72.2 -53.9 8.6 471 478 A S > - 0 0 18 -98,-1.1 4,-2.8 -2,-0.2 5,-0.3 -0.113 26.6-113.1 -56.8 152.0 71.5 -52.9 5.0 472 479 A H H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.841 115.2 55.1 -54.5 -40.6 72.5 -49.7 3.5 473 480 A H H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.967 112.8 41.6 -58.3 -48.1 68.9 -48.6 3.0 474 481 A E H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.933 114.2 49.7 -67.9 -52.5 68.1 -49.1 6.7 475 482 A L H X S+ 0 0 74 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.927 115.5 45.5 -49.8 -48.9 71.3 -47.6 8.1 476 483 A T H X S+ 0 0 69 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.929 114.0 47.7 -61.0 -47.8 70.8 -44.6 5.8 477 484 A R H X S+ 0 0 55 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.901 114.0 45.9 -65.9 -43.2 67.2 -44.2 6.7 478 485 A V H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 5,-0.3 0.977 112.4 49.0 -67.0 -54.0 67.7 -44.5 10.4 479 486 A A H X S+ 0 0 36 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.934 114.0 49.7 -40.5 -54.4 70.6 -42.1 10.6 480 487 A S H X S+ 0 0 46 -4,-2.5 4,-3.3 -5,-0.3 -2,-0.2 0.908 108.6 50.1 -57.2 -50.3 68.5 -39.7 8.5 481 488 A A H X S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.916 112.6 46.8 -57.9 -46.8 65.4 -40.0 10.8 482 489 A L H X>S+ 0 0 3 -4,-2.5 5,-2.6 2,-0.2 4,-1.3 0.936 114.0 47.7 -62.2 -47.0 67.4 -39.3 14.0 483 490 A R H ><5S+ 0 0 167 -4,-2.7 3,-0.9 -5,-0.3 -2,-0.2 0.965 110.3 54.4 -53.6 -48.8 69.2 -36.4 12.3 484 491 A K H 3<5S+ 0 0 65 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.801 116.4 36.3 -57.9 -32.2 65.8 -35.2 11.1 485 492 A L H 3<5S- 0 0 0 -4,-1.7 -451,-2.4 -3,-0.3 -452,-0.3 0.463 113.3-105.7-106.2 -1.7 64.4 -35.2 14.7 486 493 A G T <<5 + 0 0 5 -4,-1.3 -453,-0.9 -3,-0.9 -3,-0.2 0.759 68.0 149.2 84.2 24.1 67.3 -34.1 16.8 487 494 A A < - 0 0 11 -5,-2.6 -1,-0.3 -455,-0.3 -455,-0.2 -0.600 55.5 -97.8 -86.2 152.0 68.0 -37.5 18.2 488 495 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.368 49.2-100.2 -60.2 149.1 71.5 -38.5 19.1 489 496 A P >> - 0 0 61 0, 0.0 4,-1.5 0, 0.0 3,-1.5 -0.303 37.3 -95.4 -72.0 162.1 73.2 -40.6 16.4 490 497 A L H 3> S+ 0 0 33 1,-0.3 4,-1.3 2,-0.2 3,-0.0 0.821 120.8 60.4 -44.7 -44.0 73.5 -44.3 16.6 491 498 A R H 3> S+ 0 0 187 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.864 103.8 50.1 -59.7 -36.7 77.0 -44.3 18.2 492 499 A V H <> S+ 0 0 41 -3,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.930 106.3 56.0 -64.1 -42.6 75.8 -42.3 21.2 493 500 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.780 101.8 58.4 -60.2 -26.2 72.9 -44.8 21.7 494 501 A K H X S+ 0 0 99 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.978 107.2 44.8 -67.9 -53.7 75.5 -47.5 21.8 495 502 A S H X S+ 0 0 72 -4,-1.6 4,-2.0 1,-0.2 3,-0.5 0.947 114.2 50.4 -47.9 -55.4 77.3 -45.8 24.8 496 503 A R H X S+ 0 0 86 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.876 108.4 52.9 -53.4 -41.3 73.9 -45.2 26.4 497 504 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.3 0.868 105.0 54.1 -64.3 -38.5 73.0 -48.8 25.9 498 505 A R H X S+ 0 0 108 -4,-2.0 4,-2.7 -3,-0.5 -1,-0.2 0.937 112.3 43.9 -63.3 -47.6 76.2 -50.1 27.6 499 506 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 113.5 50.0 -62.3 -47.3 75.5 -48.1 30.7 500 507 A V H X S+ 0 0 11 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.893 113.0 49.7 -54.9 -37.7 71.8 -49.1 30.6 501 508 A R H X S+ 0 0 36 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.907 104.2 56.5 -70.0 -45.8 73.1 -52.7 30.3 502 509 A A H X S+ 0 0 57 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.917 111.2 45.2 -51.2 -48.8 75.5 -52.5 33.2 503 510 A S H X S+ 0 0 42 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.993 108.8 52.7 -60.3 -64.6 72.7 -51.5 35.4 504 511 A L H < S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.768 112.6 48.1 -41.4 -36.4 70.1 -54.1 34.3 505 512 A I H >< S+ 0 0 46 -4,-2.0 3,-2.7 1,-0.2 -1,-0.2 0.966 108.7 50.0 -71.6 -55.0 72.8 -56.8 35.0 506 513 A S H 3< S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.721 102.3 64.8 -57.8 -23.1 73.8 -55.6 38.4 507 514 A R T 3< S- 0 0 108 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.696 94.1-165.3 -70.0 -20.5 70.1 -55.6 39.3 508 515 A G X> + 0 0 28 -3,-2.7 4,-1.1 -4,-0.3 3,-0.6 0.034 44.7 67.4 61.7-173.7 70.1 -59.3 38.8 509 516 A G H 3> S- 0 0 65 1,-0.2 4,-1.0 2,-0.2 3,-0.2 -0.284 119.6 -21.9 70.4-149.7 66.9 -61.4 38.5 510 517 A K H >> S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.884 137.0 63.3 -64.4 -36.9 64.8 -61.0 35.4 511 518 A A H <> S+ 0 0 6 -3,-0.6 4,-2.7 1,-0.3 -2,-0.2 0.918 97.8 56.9 -49.4 -47.0 66.3 -57.5 34.9 512 519 A A H 3X S+ 0 0 3 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.892 103.4 53.3 -55.0 -40.0 69.6 -59.3 34.4 513 520 A V H XX S+ 0 0 45 -4,-1.0 4,-3.1 -3,-0.5 3,-0.9 0.995 107.2 50.6 -58.5 -63.1 68.1 -61.3 31.5 514 521 A C H 3X>S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 5,-0.7 0.876 111.4 50.1 -36.4 -53.6 66.9 -58.1 29.8 515 522 A G H 3X5S+ 0 0 0 -4,-2.7 4,-0.8 -11,-0.2 -1,-0.3 0.909 116.2 39.6 -54.1 -44.2 70.4 -56.7 30.1 516 523 A R H <<5S+ 0 0 102 -4,-2.2 -2,-0.2 -3,-0.9 11,-0.2 0.897 126.1 32.6 -80.8 -40.1 72.1 -59.8 28.7 517 524 A Y H ><5S+ 0 0 25 -4,-3.1 3,-1.3 -5,-0.2 4,-0.3 0.972 120.8 43.4 -78.2 -59.4 69.7 -60.7 25.9 518 525 A L H 3<5S+ 0 0 2 -4,-1.4 3,-0.2 -5,-0.3 -3,-0.2 0.756 123.8 33.6 -66.2 -29.0 68.3 -57.3 24.7 519 526 A F T >X> S+ 0 0 120 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.980 100.2 54.2 -51.5 -59.8 62.8 -71.7 29.2 534 541 A E H >> S+ 0 0 62 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.734 94.3 77.5 -47.8 -26.2 60.0 -69.2 29.9 535 542 A A H >4 S+ 0 0 8 -3,-0.4 3,-0.6 1,-0.2 -1,-0.3 0.762 84.4 56.3 -58.5 -38.1 59.7 -68.7 26.1 536 543 A R H <4 S+ 0 0 99 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.771 98.4 65.2 -67.8 -27.0 57.7 -71.9 25.4 537 544 A L H << 0 0 96 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.787 360.0 360.0 -63.0 -33.7 55.0 -70.7 27.9 538 545 A L << 0 0 95 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.792 360.0 360.0 -98.4 360.0 54.2 -67.6 25.7